SCHEMBL3435256

SCHEMBL3435256

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc([N+](=O)[O-])c(O)c2)NC(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PDE1C Q14123 2/20 0.53
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADORA2B P29275 4/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13425376 0.93 MEN1 (0.55) GAAMEN1KMT2APDE1CALDH1A1
SCHEMBL3399249 0.90 MEN1 (0.52) GAAMEN1KMT2APDE1CALDH1A1
SCHEMBL13425565 0.90 MEN1 (0.55) GAAMEN1KMT2APDE1CALDH1A1
SCHEMBL3398352 0.89 MEN1 (0.55) GAAMEN1KMT2APDE1CALDH1A1
SCHEMBL3399089 0.89 KMT2A (0.52) GAAMEN1KMT2APDE1CALDH1A1
SCHEMBL3393426 0.88 GAA (0.66) GAAMEN1KMT2APDE1CALDH1A1
SCHEMBL3392505 0.86 MEN1 (0.58) GAAMEN1KMT2APDE1CALDH1A1
SCHEMBL3394305 0.85 GAA (0.60) GAAMEN1KMT2APDE1CALDH1A1
SCHEMBL3397339 0.85 GAA (0.60) GAAMEN1KMT2APDE1CALDH1A1
SCHEMBL3395671 0.85 GAA (0.60) GAAMEN1KMT2APDE1CALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed